3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine

C13H20N2 — CID 116952387

IUPAC3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine
SMILESCNC(c1ccc(C)cc1)C1CC(N)C1
InChIInChI=1S/C13H20N2/c1-9-3-5-10(6-4-9)13(15-2)11-7-12(14)8-11/h3-6,11-13,15H,7-8,14H2,1-2H3
InChIKeyBDJLLRWZKVEXLP-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.99
Rot. Bonds3

About 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine

3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116952387) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine
PubChem CID116952387
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine
SMILESCNC(c1ccc(C)cc1)C1CC(N)C1
InChIInChI=1S/C13H20N2/c1-9-3-5-10(6-4-9)13(15-2)11-7-12(14)8-11/h3-6,11-13,15H,7-8,14H2,1-2H3
InChIKeyBDJLLRWZKVEXLP-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 64740235
N-methyl-1-(2-methylcyclopropyl)-1-(4-methylphenyl)methanamine
CID 43481824
3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116952452
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
1-N-[1-(4-methylphenyl)propyl]cyclobutane-1,3-diamine
CID 80559783
3-[methylamino(pyridin-2-yl)methyl]cyclobutan-1-amine
CID 116952496
3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine
CID 116952458
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115789805
3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
CID 116937429
1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412580
1-(4-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681196
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254

Frequently Asked Questions

What is the IUPAC name of 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine (CID 116952387) is 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine is CNC(c1ccc(C)cc1)C1CC(N)C1.
What is the InChIKey of 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is BDJLLRWZKVEXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-3-5-10(6-4-9)13(15-2)11-7-12(14)8-11/h3-6,11-13,15H,7-8,14H2,1-2H3.
What are the key properties of 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine?
3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116952387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).